Atomistic Simulation Center Inauguration Symposium, October 26-27, 2021 /CoursesID:2788
- Most recent entry on 2021-10-27
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Keywords: HPC NHR NHR@FAU Atomistic Simulation Scientific Computing

Organisational Unit

Professur für Computational Chemistry

Recording type

Themenvorträge

Via

Free / Passwort

Language

The Atomistic Simulation Center (ASC) is a collaboration between the three National High Performance Computing (NHR) centers Paderborn (PC2), Erlangen (NHR@FAU), and Berlin (NHR@ZIB), providing their combined multifaceted expertise on atomistic simulations. The inauguration symposium celebrates the initiation of the ASC collaboration via a selected compilation of scientifically exciting talks from all areae of ASC-expertise. An overview of the symposium (including a list of invited speakers and a session schedule) can be found on our announcement flyer, which is available for download as PDF file (A3 landscape).

Associated Clips

Episode
Title
Lecturer
Updated
Via
Duration
Media
1
G. Wellein: Nationales Hochleistungsrechnen - NHR-Alliance
Prof. Dr. Gerhard Wellein
2021-10-26
Free
00:26:28
2
P. Imhof: The Atomistic Simulation Center in Paderborn-Erlangen-Berlin
Prof. Dr. Petra Imhof
2021-10-26
Free
00:13:48
3
F. Höfling: GPU-powered molecular dynamics simulations of liquids
Prof. Dr. Petra Imhof
2021-10-26
Free
00:19:42
4
T. Kühne: Very large scale simulations using the non-orthogonal local submatrix method
Prof. Dr. Petra Imhof
2021-10-26
Free
00:21:56
5
G. Schmidt: Understanding Phase Transitions in Quasi-1D Systems
Prof. Dr. Petra Imhof
2021-10-26
Free
00:16:39
6
R. Drautz: Atomic cluster expansion for bridging from electrons to materials properties
Prof. Dr. Petra Imhof
2021-10-26
Passwort
00:29:36
7
H. Gohlke: Structure-based computational enzyme engineering
Prof. Dr. Petra Imhof
2021-10-27
Passwort
00:32:12
8
A. Görling: Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy
Prof. Dr. Petra Imhof
2021-10-27
Passwort
00:19:47
9
B. Keller: Molecules move! Disentangling complex molecular dynamics and their function
Prof. Dr. Petra Imhof
2021-10-26
Passwort
00:30:49
10
U. Kleinekathöfer: Transport in biomolecular systems: On light harvesting and nanopores
Prof. Dr. Petra Imhof
2021-10-27
Passwort
00:33:14
11
Ch. Ochsenfeld: Linear-scaling methods for solving the Schrödinger equation of complex systems
Prof. Dr. Petra Imhof
2021-10-27
Passwort
00:31:30
12
Ch. Plessl: Towards Exascale Computing for Atomistic Simulations with GPUs
Prof. Dr. Petra Imhof
2021-10-27
Passwort
00:22:42
13
P. Saalfrank: Photochemistry and Spectroscopy of Molecules at Surfaces: Insights from Ab Initio Molecular Dynamics
Prof. Dr. Petra Imhof
2021-10-27
Passwort
00:33:38
14
A. Smith: Multiscale modeling of SILP catalysis
Prof. Dr. Petra Imhof
2021-10-26
Passwort
00:19:12
15
F. Gräter: Towards reactive Molecular Dynamics simulations: learning barriers
Prof. Dr. Petra Imhof
2021-10-26
Passwort
00:30:46

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